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2N35
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FUSION TO A HIGHLY STABLE CONSENSUS ALBUMIN BINDING DOMAIN ALLOWS FOR TUNABLE PHARMACOKINETICS
Descriptor:Albumin binding protein
Authors:Gibbs, A.C., Jacobs, S.A.
Deposit date:2015-05-21
Release date:2015-09-02
Last modified:2015-10-21
Method:SOLUTION NMR
Cite:Fusion to a highly stable consensus albumin binding domain allows for tunable pharmacokinetics.
Protein Eng.Des.Sel., 28, 2015
3NBV
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X-RAY STRUCTURE OF KETOHEXOKINASE IN COMPLEX WITH AMP-PNP AND FRUCTOSE
Descriptor:Ketohexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, FRUCTOSE, ...
Authors:Abad, M.C., Gibbs, A.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NBW
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X-RAY STRUCTURE OF KETOHEXOKINASE IN COMPLEX WITH A PYRAZOLE COMPOUND
Descriptor:Ketohexokinase, GLYCEROL, SULFATE ION, ...
Authors:Abad, M.C., Gibbs, A.C., Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC2
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X-RAY STRUCTURE OF KETOHEXOKINASE WITH A QUINAZOLINE
Descriptor:Ketohexokinase, quinazoline, SULFATE ION
Authors:Abad, M.C., Gibbs, A.C., Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC9
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X-RAY STRUCTURE OF KETOHEXOKINASE COMPLEXED WITH AN INDAZOLE COMPOUND
Descriptor:Ketohexokinase, N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide, SULFATE ION
Authors:Abad, M.C., Gibbs, A.C., Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NCA
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X-RAY STRUCTURE OF KETOHEXOKINASE IN COMPLEX WITH A THIENO PYRIDINOL COMPOUND
Descriptor:Ketohexokinase, SULFATE ION, thieno[3,2-b]pyridin-7-ol
Authors:Abad, M.C., Gibbs, A.C., Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
1CW5
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SOLUTION STRUCTURE OF CARNOBACTERIOCIN B2
Descriptor:TYPE IIA BACTERIOCIN CARNOBACTERIOCIN B2
Authors:Wang, Y., Henz, M.E., Gallagher, N.L.F., Chai, S., Yan, L.Z., Gibbs, A.C., Stiles, M.E., Wishart, D.S., Vederas, J.C.
Deposit date:1999-08-25
Release date:1999-09-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of carnobacteriocin B2 and implications for structure-activity relationships among type IIa bacteriocins from lactic acid bacteria.
Biochemistry, 38, 1999
1CW6
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REFINED SOLUTION STRUCTURE OF LEUCOCIN A
Descriptor:TYPE IIA BACTERIOCIN LEUCOCIN A
Authors:Wang, Y., Henz, M.E., Gallagher, N.L.F., Chai, S., Yan, L.Z., Gibbs, A.C., Stiles, M.E., Wishart, D.S., Vederas, J.C.
Deposit date:1999-08-25
Release date:1999-09-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of carnobacteriocin B2 and implications for structure-activity relationships among type IIa bacteriocins from lactic acid bacteria.
Biochemistry, 38, 1999
1RY3
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NMR SOLUTION STRUCTURE OF THE PRECURSOR FOR CARNOBACTERIOCIN B2, AN ANTIMICROBIAL PEPTIDE FROM CARNOBACTERIUM PISCICOLA
Descriptor:Bacteriocin carnobacteriocin B2
Authors:Sprules, T., Kawulka, K.E., Gibbs, A.C., Wishart, D.S., Vederas, J.C.
Deposit date:2003-12-19
Release date:2004-05-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR solution structure of the precursor for carnobacteriocin B2, an antimicrobial peptide from Carnobacterium piscicola.
Eur.J.Biochem., 271, 2004
3RO4
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X-RAY STRUCTURE OF KETOHEXOKINASE IN COMPLEX WITH AN INDAZOLE COMPOUND DERIVATIVE
Descriptor:Ketohexokinase, SULFATE ION, 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole
Authors:Abad, M.C., Gibbs, A.C.
Deposit date:2011-04-25
Release date:2011-08-03
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
5TCZ
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NMR SOLUTION STRUCTURE OF ENGINEERED PROTOXIN-II ANALOG
Descriptor:Beta/omega-theraphotoxin-Tp2a
Authors:Gibbs, A.C., Wickenden, A.D.
Deposit date:2016-09-16
Release date:2017-01-18
Method:SOLUTION NMR
Cite:Insensitivity to pain induced by a potent selective closed-state Nav1.7 inhibitor.
Sci Rep, 7, 2017
5K9R
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PDE10A WITH IMIDAZOPYRAZINE INHIBITOR
Descriptor:cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ...
Authors:Gibbs, A.G., Schubert, C.
Deposit date:2016-06-01
Release date:2016-08-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3Q92
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X-RAY STRUCTURE OF KETOHEXOKINASE IN COMPLEX WITH A PYRIMIDOPYRIMIDINE ANALOG 1
Descriptor:Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION
Authors:Abad, M.C.
Deposit date:2011-01-07
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011
3QA2
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X-RAY STRUCTURE OF KETOHEXOKINASE IN COMPLEX WITH A PYRIMIDOPYRIMIDINE ANALOG 2
Descriptor:Ketohexokinase, SULFATE ION, N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine
Authors:Abad, M.C.
Deposit date:2011-01-10
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.519 Å)
Cite:Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011
3QAI
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X-RAY STRUCTURE OF KETOHEXOKINASE IN COMPLEX WITH A PYRIMIDOPYRIMIDINE ANALOG 3
Descriptor:Ketohexokinase, SULFATE ION, N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
Authors:Abad, M.C.
Deposit date:2011-01-11
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011